SCHEMBL1341565

SCHEMBL1341565

C=CCCN1CCN(C(=O)OC(C)(C)C)C(C)C1=O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.35
SETD7 Q8WTS6 2/20 0.34
MGLL Q99685 1/20 0.32
F13A1 P00488 1/20 0.32
TGM2 P21980 1/20 0.32
TGM1 P22735 1/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PLA2G10 O15496 1/20 0.31
PLA2G5 P39877 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1341886 1.00 FAAH (0.35) FAAHSETD7MGLLF13A1TGM2
SCHEMBL1343824 1.00 FAAH (0.35) FAAHSETD7MGLLF13A1TGM2
SCHEMBL1341622 0.93 FAAH (0.37) FAAHSETD7MGLL
SCHEMBL1342098 0.89 SETD7 (0.35) SETD7TP53ALDH1A1PLA2G10PLA2G5
SCHEMBL1344593 0.89 SETD7 (0.35) SETD7TP53ALDH1A1PLA2G10PLA2G5
SCHEMBL1343297 0.89 SETD7 (0.35) SETD7TP53ALDH1A1PLA2G10PLA2G5
SCHEMBL1568438 0.82 SETD7 (0.35) SETD7TP53ALDH1A1PLA2G10PLA2G5
SCHEMBL1568443 0.82 SETD7 (0.35) SETD7TP53ALDH1A1PLA2G10PLA2G5
SCHEMBL1343852 0.79 CHRM2 (0.37) SETD7
SCHEMBL1343786 0.78 HRH3 (0.36)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063042-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2011-11-22 US disclosed
EP-2220055-A2 NOVEL HETEROCYCLYL COMPOUNDS AND THEIR USE AS CHEMOKINE ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2010-08-25 EP disclosed
US-20090023713-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE, INC. 2009-01-22 US disclosed
WO-2009010429-A2 NOVEL HETEROCYCLYL COMPOUNDS AND THEIR USE AS CHEMOKINE ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-01-22 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090023713-A1 HETEROCYCLIC COMPOUNDS CCR5, CCR3, CCR2 FAAH 2254/4885SETD7 3026/4885MGLL 3903/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.